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CAS Number: 24949-38-0
SMILES : C(=CCCCCCC)CCCCC
CHEM : 6-TRIDECENE
MOL FOR: C13 H26
MOL WT : 182.35
------------------------------ EPI SUMMARY (v4.11) --------------------------
Physical Property Inputs:
Log Kow (octanol-water): ------
Boiling Point (deg C) : ------
Melting Point (deg C) : ------
Vapor Pressure (mm Hg) : ------
Water Solubility (mg/L): ------
Henry LC (atm-m3/mole) : ------
Log Octanol-Water Partition Coef (SRC):
Log Kow (KOWWIN v1.68 estimate) = 6.51
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 230.64 (Adapted Stein & Brown method)
Melting Pt (deg C): -10.48 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.117 (Mean VP of Antoine & Grain methods)
VP (Pa, 25 deg C) : 15.6 (Mean VP of Antoine & Grain methods)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 0.04288
log Kow used: 6.51 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 0.028365 mg/L
ECOSAR Class Program (ECOSAR v1.11):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 3.08E+000 atm-m3/mole (3.12E+005 Pa-m3/mole)
Group Method: 4.99E+000 atm-m3/mole (5.06E+005 Pa-m3/mole)
For Henry LC Comparison Purposes:
User-Entered Henry LC: not entered
Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:
HLC: 6.547E-001 atm-m3/mole (6.633E+004 Pa-m3/mole)
VP: 0.117 mm Hg (source: MPBPVP)
WS: 0.0429 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 6.51 (KowWin est)
Log Kaw used: 2.100 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 4.410
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.8776
Biowin2 (Non-Linear Model) : 0.9838
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 3.3929 (days-weeks )
Biowin4 (Primary Survey Model) : 4.1228 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.6276
Biowin6 (MITI Non-Linear Model): 0.7725
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.1283
Ready Biodegradability Prediction: YES
Hydrocarbon Biodegradation (BioHCwin v1.01):
LOG BioHC Half-Life (days) : 0.8803
BioHC Half-Life (days) : 7.5916
Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
Vapor pressure (liquid/subcooled): 14.8 Pa (0.111 mm Hg)
Log Koa (Koawin est ): 4.410
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 2.03E-007
Octanol/air (Koa) model: 6.31E-009
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 7.32E-006
Mackay model : 1.62E-005
Octanol/air (Koa) model: 5.05E-007
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 68.3951 E-12 cm3/molecule-sec [Cis-isomer]
OVERALL OH Rate Constant = 75.9951 E-12 cm3/molecule-sec [Trans-isomer]
Half-Life = 1.877 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]
Half-Life = 1.689 Hrs (12-hr day; 1.5E6 OH/cm3) [Trans-isomer]
Ozone Reaction:
OVERALL Ozone Rate Constant = 13.000000 E-17 cm3/molecule-sec [Cis-]
OVERALL Ozone Rate Constant = 20.000000 E-17 cm3/molecule-sec [Trans-]
Half-Life = 2.116 Hrs (at 7E11 mol/cm3) [Cis-isomer]
Half-Life = 1.375 Hrs (at 7E11 mol/cm3) [Trans-isomer]
Reaction With Nitrate Radicals May Be Important!
Fraction sorbed to airborne particulates (phi):
1.18E-005 (Junge-Pankow, Mackay avg)
5.05E-007 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 8781 L/kg (MCI method)
Log Koc: 3.944 (MCI method)
Koc : 4.463E+005 L/kg (Kow method)
Log Koc: 5.650 (Kow method)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Rate constants can NOT be estimated for this structure!
Bioaccumulation Estimates (BCFBAF v3.01):
Log BCF from regression-based method = 2.588 (BCF = 387.7 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 0.9702 days (HL = 9.336 days)
Log BCF Arnot-Gobas method (upper trophic) = 3.320 (BCF = 2090)
Log BAF Arnot-Gobas method (upper trophic) = 4.370 (BAF = 2.343e+004)
log Kow used: 6.51 (estimated)
Volatilization from Water:
Henry LC: 3.08 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 1.378 hours
Half-Life from Model Lake : 128.3 hours (5.344 days)
Removal In Wastewater Treatment (recommended maximum 95%):
Total removal: 99.64 percent
Total biodegradation: 0.21 percent
Total sludge adsorption: 61.24 percent
Total to Air: 38.20 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 2.22 1.35 1000
Water 77.5 208 1000
Soil 9.21 416 1000
Sediment 11.1 1.87e+003 0
Persistence Time: 66 hr